O-[(2-methoxy-5-methylsulfanylphenyl)methyl]hydroxylamine

C9H13NO2S — CID 117288802

IUPACO-[(2-methoxy-5-methylsulfanylphenyl)methyl]hydroxylamine
SMILESCOc1ccc(SC)cc1CON
InChIInChI=1S/C9H13NO2S/c1-11-9-4-3-8(13-2)5-7(9)6-12-10/h3-5H,6,10H2,1-2H3
InChIKeyXQQXCRBRBISYAM-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.81
Rot. Bonds4

About O-[(2-methoxy-5-methylsulfanylphenyl)methyl]hydroxylamine

O-[(2-methoxy-5-methylsulfanylphenyl)methyl]hydroxylamine (PubChem CID 117288802) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is O-[(2-methoxy-5-methylsulfanylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(2-methoxy-5-methylsulfanylphenyl)methyl]hydroxylamine
PubChem CID117288802
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC NameO-[(2-methoxy-5-methylsulfanylphenyl)methyl]hydroxylamine
SMILESCOc1ccc(SC)cc1CON
InChIInChI=1S/C9H13NO2S/c1-11-9-4-3-8(13-2)5-7(9)6-12-10/h3-5H,6,10H2,1-2H3
InChIKeyXQQXCRBRBISYAM-UHFFFAOYSA-N
XLogP1.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

O-[2-(2-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117304512
2-(bromomethyl)-1-methoxy-4-methylsulfanylbenzene
CID 142016625
O-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117286953
O-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]hydroxylamine
CID 117330895
2-(2-methoxy-5-methylsulfanylphenyl)propan-2-amine
CID 117302166
O-[(2-methoxy-4,5-dimethylphenyl)methyl]hydroxylamine
CID 83482464
O-[(3-methylsulfanylphenyl)methyl]hydroxylamine
CID 117276756
O-[(3-bromo-2-fluoro-4-methoxyphenyl)methyl]hydroxylamine
CID 117378161
2-methoxy-4-methylsulfanylphenol
CID 11423824
N-methoxy-1-(2-methoxy-4-methylsulfanylphenyl)methanamine
CID 117304523
ethyl 2-(2-methoxy-4-methylsulfanylphenyl)acetate
CID 91881373
1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol
CID 117303281

Frequently Asked Questions

What is the IUPAC name of O-[(2-methoxy-5-methylsulfanylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(2-methoxy-5-methylsulfanylphenyl)methyl]hydroxylamine (CID 117288802) is O-[(2-methoxy-5-methylsulfanylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(2-methoxy-5-methylsulfanylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(2-methoxy-5-methylsulfanylphenyl)methyl]hydroxylamine is COc1ccc(SC)cc1CON.
What is the InChIKey of O-[(2-methoxy-5-methylsulfanylphenyl)methyl]hydroxylamine?
The InChIKey is XQQXCRBRBISYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-11-9-4-3-8(13-2)5-7(9)6-12-10/h3-5H,6,10H2,1-2H3.
What are the key properties of O-[(2-methoxy-5-methylsulfanylphenyl)methyl]hydroxylamine?
O-[(2-methoxy-5-methylsulfanylphenyl)methyl]hydroxylamine has a molecular weight of 199.27 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2-methoxy-5-methylsulfanylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117288802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).